Geometry & MOs

Info

ID:	44413
PubChem CID:	10503414
Reduced:	NO4C28H29 (1)
Stoich.:	AB4C28D29 (1)
Weight, g/mol:	443.257277
ΔH_f, kcal/mol:	-101.59
Dipole, Da:	0.88
IP(EA), eV:	-9.28(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@H](N(C1)C(=O)OCC2=CC=CC=C2)CC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations